1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C78H123N7O5 — CID 159875357

IUPAC1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCN(C(=O)C4CC4)C3)c3ccccc32)CC1.CCN(C(=O)CCC(C)=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H]
InChIInChI=1S/C30H45N3O2.C27H42N2O2.C21H32N2O.2H2/c1-29(2,3)14-18-32-19-15-30(16-20-32)13-12-26(24-8-4-5-9-25(24)30)31-27(34)23-7-6-17-33(21-23)28(35)22-10-11-22;1-6-29(25(31)12-11-21(2)30)24-13-14-27(23-10-8-7-9-22(23)24)16-19-28(20-17-27)18-15-26(3,4)5;1-4-16(2)15-23-13-11-21(12-14-23)10-9-20(22-17(3)24)18-7-5-6-8-19(18)21;;/h4-5,8-9,22-23,26H,6-7,10-21H2,1-3H3,(H,31,34);7-10,24H,6,11-20H2,1-5H3;5-8,16,20H,4,9-15H2,1-3H3,(H,22,24);2*1H/t23?,26-;24-;16-,20+;;/m101../s1
InChIKeyNSVIZYPZZKUPSQ-PCLGMPBESA-N
MW1238.89 g/mol
LogP15.09
Rot. Bonds16

About 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 159875357) has the molecular formula C78H123N7O5 and a molecular weight of 1238.89 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID159875357
Molecular FormulaC78H123N7O5
Molecular Weight1238.89 g/mol
Exact Mass1237.96
IUPAC Name1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCN(C(=O)C4CC4)C3)c3ccccc32)CC1.CCN(C(=O)CCC(C)=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H]
InChIInChI=1S/C30H45N3O2.C27H42N2O2.C21H32N2O.2H2/c1-29(2,3)14-18-32-19-15-30(16-20-32)13-12-26(24-8-4-5-9-25(24)30)31-27(34)23-7-6-17-33(21-23)28(35)22-10-11-22;1-6-29(25(31)12-11-21(2)30)24-13-14-27(23-10-8-7-9-22(23)24)16-19-28(20-17-27)18-15-26(3,4)5;1-4-16(2)15-23-13-11-21(12-14-23)10-9-20(22-17(3)24)18-7-5-6-8-19(18)21;;/h4-5,8-9,22-23,26H,6-7,10-21H2,1-3H3,(H,31,34);7-10,24H,6,11-20H2,1-5H3;5-8,16,20H,4,9-15H2,1-3H3,(H,22,24);2*1H/t23?,26-;24-;16-,20+;;/m101../s1
InChIKeyNSVIZYPZZKUPSQ-PCLGMPBESA-N
XLogP15.09
TPSA125.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.89
LogP ≤ 515.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 159875357) is 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCN(C(=O)C4CC4)C3)c3ccccc32)CC1.CCN(C(=O)CCC(C)=O)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is NSVIZYPZZKUPSQ-PCLGMPBESA-N. The full InChI is InChI=1S/C30H45N3O2.C27H42N2O2.C21H32N2O.2H2/c1-29(2,3)14-18-32-19-15-30(16-20-32)13-12-26(24-8-4-5-9-25(24)30)31-27(34)23-7-6-17-33(21-23)28(35)22-10-11-22;1-6-29(25(31)12-11-21(2)30)24-13-14-27(23-10-8-7-9-22(23)24)16-19-28(20-17-27)18-15-26(3,4)5;1-4-16(2)15-23-13-11-21(12-14-23)10-9-20(22-17(3)24)18-7-5-6-8-19(18)21;;/h4-5,8-9,22-23,26H,6-7,10-21H2,1-3H3,(H,31,34);7-10,24H,6,11-20H2,1-5H3;5-8,16,20H,4,9-15H2,1-3H3,(H,22,24);2*1H/t23?,26-;24-;16-,20+;;/m101../s1.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1238.89 g/mol, XLogP of 15.09, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-3-carboxamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159875357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).